11-methoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Basic information
- CAS
509-44-4- Standard SMILES
COc1ccc2c(c1)N1C(=O)CC3OCC=C4CN5CCC26C5CC4C3C16- InChIKey
CAPUGADOGHKUQS-UHFFFAOYSA-N- Molecular formula
- C22H24N2O3
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.17869263
Names & identifiers
- Preferred name
- 11-methoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
- IUPAC
- 11-methoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Database identifiers
- CAS
509-44-4- PubChem CID
- 10514
- DTXSID
DTXSID90965139
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 737
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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